1,3-diethyl-5-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-2-one

C23H23N3O — CID 23647076

IUPAC1,3-diethyl-5-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-2-one
SMILESCCn1c(=O)n(CC)c2cc(-c3cccnc3-c3cccc(C)c3)ccc21
InChIInChI=1S/C23H23N3O/c1-4-25-20-12-11-17(15-21(20)26(5-2)23(25)27)19-10-7-13-24-22(19)18-9-6-8-16(3)14-18/h6-15H,4-5H2,1-3H3
InChIKeyVKGRIWAKRCOIPD-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.88
Rot. Bonds4

About 1,3-diethyl-5-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-2-one

1,3-diethyl-5-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-2-one (PubChem CID 23647076) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is 1,3-diethyl-5-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-2-one.

Molecular Properties

Compound Name1,3-diethyl-5-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-2-one
PubChem CID23647076
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name1,3-diethyl-5-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-2-one
SMILESCCn1c(=O)n(CC)c2cc(-c3cccnc3-c3cccc(C)c3)ccc21
InChIInChI=1S/C23H23N3O/c1-4-25-20-12-11-17(15-21(20)26(5-2)23(25)27)19-10-7-13-24-22(19)18-9-6-8-16(3)14-18/h6-15H,4-5H2,1-3H3
InChIKeyVKGRIWAKRCOIPD-UHFFFAOYSA-N
XLogP4.88
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-5-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-2-one?
The IUPAC name of 1,3-diethyl-5-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-2-one (CID 23647076) is 1,3-diethyl-5-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-2-one.
What is the SMILES notation for 1,3-diethyl-5-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-2-one?
The canonical SMILES for 1,3-diethyl-5-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-2-one is CCn1c(=O)n(CC)c2cc(-c3cccnc3-c3cccc(C)c3)ccc21.
What is the InChIKey of 1,3-diethyl-5-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-2-one?
The InChIKey is VKGRIWAKRCOIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c1-4-25-20-12-11-17(15-21(20)26(5-2)23(25)27)19-10-7-13-24-22(19)18-9-6-8-16(3)14-18/h6-15H,4-5H2,1-3H3.
What are the key properties of 1,3-diethyl-5-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-2-one?
1,3-diethyl-5-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-2-one has a molecular weight of 357.46 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-5-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-2-one is sourced from PubChem (CID 23647076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).